2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-pyridine Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-5-nitropyridine IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-5-nitro-pyridine Formula: C13H10N6O2S MolecularWeight: 314.3225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C13H10N6O2S/c1-18-12(9-4-6-14-7-5-9)16-17-13(18)22-11-3-2-10(8-15-11)19(20)21/h2-8H,1H3